SCHEMBL7373339

SCHEMBL7373339

CN(C(=O)c1ccccc1)c1ccc(C(=O)N(C)c2ccccc2OCCCCCC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
MCHR1 Q99705 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTB4R Q15722 2/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7371612 0.91 L3MBTL1 (0.42) THRATHRBATMMCHR1L3MBTL1
SCHEMBL7372944 0.87 AVPR2 (0.41) THRBMCHR1MEN1ALDH1A1KMT2A
SCHEMBL7375488 0.85 MCHR1 (0.47) PPARDMCHR1L3MBTL1LTB4RCNR2
SCHEMBL7373541 0.85 ALDH1A1 (0.41) PPARDTHRATHRBMCHR1L3MBTL1
SCHEMBL7373520 0.78 FABP4 (0.38) L3MBTL1LTB4RMEN1ALDH1A1KMT2A
SCHEMBL7514175 0.76 MCHR1 (0.38) THRATHRBMCHR1L3MBTL1ALDH1A1
SCHEMBL7371273 0.76 MCHR1 (0.46) MCHR1L3MBTL1
SCHEMBL7368631 0.76 MCHR1 (0.44) PPARDMCHR1L3MBTL1MEN1ALDH1A1
SCHEMBL7377771 0.75 ATM (0.53) ATML3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL7370294 0.74 HPGD (0.49) PPARDMCHR1L3MBTL1LTB4RMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed